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1820740-28-0 | 5-Bromo-4-(trifluoromethyl)isatoic anhydride
CAS No: 1820740-28-0 Catalog No: AG01FGH2 MDL No:
Product Description
Catalog Number:
AG01FGH2
Chemical Name:
5-Bromo-4-(trifluoromethyl)isatoic anhydride
CAS Number:
1820740-28-0
IUPAC Name:
6-bromo-7-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C9H3BrF3NO3/c10-5-1-3-6(2-4(5)9(11,12)13)14-8(16)17-7(3)15/h1-2H,(H,14,16)
InChI Key:
WMWMZNVTAJYSQV-UHFFFAOYSA-N
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.925g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.026g/mol
Monoisotopic Mass:
308.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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